5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
338399-29-4- Standard SMILES
CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O- InChIKey
XGYGNSFBSSDNPP-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-acetyl-1-benzylpyrimidine-2,4-dione
- English name
- 5-ACETYL-1-BENZYL-2,4(1H,3H)-PYRIMIDINEDIONE
- Molecular formula
- C13H12N2O3
- Molecular weight
- 244.25
Names & synonyms
338399-29-45-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione5-acetyl-1-benzylpyrimidine-2,4-dioneMFCD001729715-acetyl-1-benzyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5-acetyl-1-benzyluracilMLS000695143SCHEMBL4352816CHEMBL1367144XGYGNSFBSSDNPP-UHFFFAOYSA-NHMS2643L22AKOS015992384
Show more names
2,4(1H,3H)-Pyrimidinedione, 5-acetyl-1-(phenylmethyl)-
5-acetyl-1-benzyl-pyrimidine-2,4-dioneSMR0003335752H-9215-Acetyl-1-benzylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
338399-29-4- PubChem CID
- 3334243
- ChEMBL
CHEMBL1367144
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
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Related reactions
3 records
Compound notes
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